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76347-62-1 | 4-(4-Bromophenyl)-2-methylbut-3-yn-2-ol
CAS No: 76347-62-1 Catalog No: AG003K2L MDL No:MFCD00168840
Product Description
Catalog Number:
AG003K2L
Chemical Name:
4-(4-Bromophenyl)-2-methylbut-3-yn-2-ol
CAS Number:
76347-62-1
Molecular Formula:
C11H11BrO
Molecular Weight:
239.1084
MDL Number:
MFCD00168840
IUPAC Name:
4-(4-bromophenyl)-2-methylbut-3-yn-2-ol
InChI:
InChI=1S/C11H11BrO/c1-11(2,13)8-7-9-3-5-10(12)6-4-9/h3-6,13H,1-2H3
InChI Key:
PYMSTKBGLPACHI-UHFFFAOYSA-N
SMILES:
CC(C#Cc1ccc(cc1)Br)(O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.112g/mol
Monoisotopic Mass:
237.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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